Found 1 result

Search term: KSPKYLQMYNWJPN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1alpha,2alpha,8xi,9xi,14xi,16xi,17xi,20xi)-3-Hydroxy-1,2-epoxyspirostan-6-one | C27H40O5

(1α,2α,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-3-Hydroxy-1,2-epoxyspirostan-6-one

  • Molecular FormulaC27H40O5
  • Average mass444.603 Da
  • Monoisotopic mass444.287567 Da
  • ChemSpider ID30650514

  • defined stereocentres - 5 of 14 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1α,2α,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-3-Hydroxy-1,2-epoxyspirostan-6-on [German] [ACD/IUPAC Name]
(1α,2α,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-3-Hydroxy-1,2-epoxyspirostan-6-one [ACD/IUPAC Name]
(1α,2α,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-3-Hydroxy-1,2-époxyspirostan-6-one [French] [ACD/IUPAC Name]
Spirostan-6-one, 1,2-epoxy-3-hydroxy-, (1α,2α,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 575.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.0±6.0 kJ/mol
Flash Point: 189.4±23.6 °C
Index of Refraction: 1.579
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 161.35
ACD/KOC (pH 5.5): 1324.13
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 161.35
ACD/KOC (pH 7.4): 1324.13
Polar Surface Area: 68 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 359.6±5.0 cm3

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